Density Functional Theory: Introduction and Applications

Density Functional Theory: Introduction and Applications

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Summary

22 of 22

22 of 22

Summary

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Density Functional Theory: Introduction and Applications

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  1. 1 Density Functional Theory: Introduction and Applications
  2. 2 Density Functional Theory: Introduction and Applications
  3. 3 Overview
  4. 4 Computational Material Science
  5. 5 Microscopic Scale: Quantum Mechanics
  6. 6 Microscopic Scale: Quantum Mechanics
  7. 7 Microscopic Scale: Quantum Mechanics
  8. 8 Microscopic Scale: Quantum Mechanics
  9. 9 Overview
  10. 10 Density Functional Theory: Formulation and Implementation
  11. 11 Question: Have we made an approximation yet?
  12. 12 Density Functional Theory: Formulation and Implementation
  13. 13 Question: Have we made an approximation yet?
  14. 14 Density Functional Theory: Formulation and Implementation
  15. 15 Overview
  16. 16 Density Functional Theory: Applications
  17. 17 Density Functional Theory: Applications
  18. 18 Example I: Total-energy calculations and convergence
  19. 19 Example II: Bulk modulus
  20. 20 Example III: Electronic band structure
  21. 21 Example III: Electronic band structure
  22. 22 Summary

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